SCHEMBL586419

SCHEMBL586419

COc1cc(C(C)C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.54
AKR1C2 P52895 11/20 0.54
PTGS2 P35354 4/20 0.49
PTGS1 P23219 3/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
AKR1C4 P17516 2/20 0.48
AKR1C1 Q04828 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
APP P05067 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL585795 0.86 RXRA (0.43) AKR1C3AKR1C2PTGS2PTGS1RXRA
SCHEMBL5373049 0.85 AKR1C3 (0.56) AKR1C3AKR1C2
SCHEMBL5766758 0.85 AKR1C3 (0.56) AKR1C3AKR1C2
SCHEMBL1972547 0.85 AKR1C3 (0.56) AKR1C3AKR1C2
SCHEMBL28827284 0.83 AKR1C3 (0.55) AKR1C3AKR1C2
SCHEMBL15506199 0.83 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL490400 0.83 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL15506110 0.83 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL10084735 0.80 RXRA (0.40) AKR1C3AKR1C2PTGS1RXRARXRB
SCHEMBL2184195 0.79 AKR1C3 (0.48) AKR1C3AKR1C2PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192163-A1 Novel Compounds PAH, PC, DDC AKR1C3 228/4885AKR1C2 240/4885PTGS2 1420/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.